{
    "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt"
    "instance-id" 1
    "space-group" {
        "source-value" "C2/c"
    }
    "basis-atom-coordinates" {
        "source-value" [
            [
                0
                0.497382
                0.25
            ]
            [
                0
                0.502618
                0.75
            ]
            [
                0
                0.770493
                0.25
            ]
            [
                0
                0.229507
                0.75
            ]
            [
                0.042948
                0.114902
                0.999854
            ]
            [
                0.957052
                0.114902
                0.500146
            ]
            [
                0.957052
                0.885098
                0.000146
            ]
            [
                0.042948
                0.885098
                0.499854
            ]
            [
                0.118582
                0.372429
                0.014181
            ]
            [
                0.881418
                0.372429
                0.485819
            ]
            [
                0.881418
                0.627571
                0.985819
            ]
            [
                0.118582
                0.627571
                0.514181
            ]
            [
                0.5
                0.997382
                0.25
            ]
            [
                0.5
                0.002618
                0.75
            ]
            [
                0.5
                0.270493
                0.25
            ]
            [
                0.5
                0.729507
                0.75
            ]
            [
                0.542948
                0.614902
                0.999854
            ]
            [
                0.457052
                0.614902
                0.500146
            ]
            [
                0.457052
                0.385098
                0.000146
            ]
            [
                0.542948
                0.385098
                0.499854
            ]
            [
                0.618582
                0.872429
                0.014181
            ]
            [
                0.381418
                0.872429
                0.485819
            ]
            [
                0.381418
                0.127571
                0.985819
            ]
            [
                0.618582
                0.127571
                0.514181
            ]
            [
                0.192235
                0.134032
                0.231726
            ]
            [
                0.807765
                0.134032
                0.268274
            ]
            [
                0.807765
                0.865968
                0.768274
            ]
            [
                0.192235
                0.865968
                0.731726
            ]
            [
                0.692235
                0.634032
                0.231726
            ]
            [
                0.307765
                0.634032
                0.268274
            ]
            [
                0.307765
                0.365968
                0.768274
            ]
            [
                0.692235
                0.365968
                0.731726
            ]
            [
                0.040542
                0.686529
                0.054992
            ]
            [
                0.959458
                0.686529
                0.445008
            ]
            [
                0.959458
                0.313471
                0.945008
            ]
            [
                0.040542
                0.313471
                0.554992
            ]
            [
                0.033464
                0.684626
                0.949786
            ]
            [
                0.966536
                0.684626
                0.550214
            ]
            [
                0.966536
                0.315374
                0.050214
            ]
            [
                0.033464
                0.315374
                0.449786
            ]
            [
                0.089472
                0.901197
                0.907537
            ]
            [
                0.910528
                0.901197
                0.592463
            ]
            [
                0.910528
                0.098803
                0.092463
            ]
            [
                0.089472
                0.098803
                0.407537
            ]
            [
                0.127967
                0.903562
                0.006301
            ]
            [
                0.872033
                0.903562
                0.493699
            ]
            [
                0.872033
                0.096438
                0.993699
            ]
            [
                0.127967
                0.096438
                0.506301
            ]
            [
                0.163943
                0.178699
                0.917481
            ]
            [
                0.836057
                0.178699
                0.582519
            ]
            [
                0.836057
                0.821301
                0.082519
            ]
            [
                0.163943
                0.821301
                0.417481
            ]
            [
                0.21286
                0.168177
                0.013223
            ]
            [
                0.78714
                0.168177
                0.486777
            ]
            [
                0.78714
                0.831823
                0.986777
            ]
            [
                0.21286
                0.831823
                0.513223
            ]
            [
                0.269941
                0.94892
                0.003225
            ]
            [
                0.730059
                0.94892
                0.496775
            ]
            [
                0.730059
                0.05108
                0.996775
            ]
            [
                0.269941
                0.05108
                0.503225
            ]
            [
                0.260576
                0.994803
                0.906502
            ]
            [
                0.739424
                0.994803
                0.593498
            ]
            [
                0.739424
                0.005197
                0.093498
            ]
            [
                0.260576
                0.005197
                0.406502
            ]
            [
                0.220558
                0.797712
                0.10955
            ]
            [
                0.779442
                0.797712
                0.39045
            ]
            [
                0.779442
                0.202288
                0.89045
            ]
            [
                0.220558
                0.202288
                0.60955
            ]
            [
                0.222141
                0.919359
                0.12754
            ]
            [
                0.777859
                0.919359
                0.37246
            ]
            [
                0.777859
                0.080641
                0.87246
            ]
            [
                0.222141
                0.080641
                0.62754
            ]
            [
                0.540542
                0.186529
                0.054992
            ]
            [
                0.459458
                0.186529
                0.445008
            ]
            [
                0.459458
                0.813471
                0.945008
            ]
            [
                0.540542
                0.813471
                0.554992
            ]
            [
                0.533464
                0.184626
                0.949786
            ]
            [
                0.466536
                0.184626
                0.550214
            ]
            [
                0.466536
                0.815374
                0.050214
            ]
            [
                0.533464
                0.815374
                0.449786
            ]
            [
                0.589472
                0.401197
                0.907537
            ]
            [
                0.410528
                0.401197
                0.592463
            ]
            [
                0.410528
                0.598803
                0.092463
            ]
            [
                0.589472
                0.598803
                0.407537
            ]
            [
                0.627967
                0.403562
                0.006301
            ]
            [
                0.372033
                0.403562
                0.493699
            ]
            [
                0.372033
                0.596438
                0.993699
            ]
            [
                0.627967
                0.596438
                0.506301
            ]
            [
                0.663943
                0.678699
                0.917481
            ]
            [
                0.336057
                0.678699
                0.582519
            ]
            [
                0.336057
                0.321301
                0.082519
            ]
            [
                0.663943
                0.321301
                0.417481
            ]
            [
                0.71286
                0.668177
                0.013223
            ]
            [
                0.28714
                0.668177
                0.486777
            ]
            [
                0.28714
                0.331823
                0.986777
            ]
            [
                0.71286
                0.331823
                0.513223
            ]
            [
                0.769941
                0.44892
                0.003225
            ]
            [
                0.230059
                0.44892
                0.496775
            ]
            [
                0.230059
                0.55108
                0.996775
            ]
            [
                0.769941
                0.55108
                0.503225
            ]
            [
                0.760576
                0.494803
                0.906502
            ]
            [
                0.239424
                0.494803
                0.593498
            ]
            [
                0.239424
                0.505197
                0.093498
            ]
            [
                0.760576
                0.505197
                0.406502
            ]
            [
                0.720558
                0.297712
                0.10955
            ]
            [
                0.279442
                0.297712
                0.39045
            ]
            [
                0.279442
                0.702288
                0.89045
            ]
            [
                0.720558
                0.702288
                0.60955
            ]
            [
                0.722141
                0.419359
                0.12754
            ]
            [
                0.277859
                0.419359
                0.37246
            ]
            [
                0.277859
                0.580641
                0.87246
            ]
            [
                0.722141
                0.580641
                0.62754
            ]
            [
                0.339764
                0.113404
                0.188101
            ]
            [
                0.660236
                0.113404
                0.311899
            ]
            [
                0.660236
                0.886596
                0.811899
            ]
            [
                0.339764
                0.886596
                0.688101
            ]
            [
                0.852432
                0.655935
                0.285182
            ]
            [
                0.147568
                0.655935
                0.214818
            ]
            [
                0.147568
                0.344065
                0.714818
            ]
            [
                0.852432
                0.344065
                0.785182
            ]
            [
                0.102714
                0.288105
                0.297065
            ]
            [
                0.897286
                0.288105
                0.202935
            ]
            [
                0.897286
                0.711895
                0.702935
            ]
            [
                0.102714
                0.711895
                0.797065
            ]
            [
                0.126186
                0.334184
                0.21111
            ]
            [
                0.873814
                0.334184
                0.28889
            ]
            [
                0.873814
                0.665816
                0.78889
            ]
            [
                0.126186
                0.665816
                0.71111
            ]
            [
                0.140415
                0.933031
                0.26927
            ]
            [
                0.859585
                0.933031
                0.23073
            ]
            [
                0.859585
                0.066969
                0.73073
            ]
            [
                0.140415
                0.066969
                0.76927
            ]
            [
                0.084675
                0.969865
                0.184068
            ]
            [
                0.915325
                0.969865
                0.315932
            ]
            [
                0.915325
                0.030135
                0.815932
            ]
            [
                0.084675
                0.030135
                0.684068
            ]
            [
                0.839764
                0.613404
                0.188101
            ]
            [
                0.160236
                0.613404
                0.311899
            ]
            [
                0.160236
                0.386596
                0.811899
            ]
            [
                0.839764
                0.386596
                0.688101
            ]
            [
                0.352432
                0.155935
                0.285182
            ]
            [
                0.647568
                0.155935
                0.214818
            ]
            [
                0.647568
                0.844065
                0.714818
            ]
            [
                0.352432
                0.844065
                0.785182
            ]
            [
                0.602714
                0.788105
                0.297065
            ]
            [
                0.397286
                0.788105
                0.202935
            ]
            [
                0.397286
                0.211895
                0.702935
            ]
            [
                0.602714
                0.211895
                0.797065
            ]
            [
                0.626186
                0.834184
                0.21111
            ]
            [
                0.373814
                0.834184
                0.28889
            ]
            [
                0.373814
                0.165816
                0.78889
            ]
            [
                0.626186
                0.165816
                0.71111
            ]
            [
                0.640415
                0.433031
                0.26927
            ]
            [
                0.359585
                0.433031
                0.23073
            ]
            [
                0.359585
                0.566969
                0.73073
            ]
            [
                0.640415
                0.566969
                0.76927
            ]
            [
                0.584675
                0.469865
                0.184068
            ]
            [
                0.415325
                0.469865
                0.315932
            ]
            [
                0.415325
                0.530135
                0.815932
            ]
            [
                0.584675
                0.530135
                0.684068
            ]
            [
                0.268362
                0.094615
                0.153694
            ]
            [
                0.731638
                0.094615
                0.346306
            ]
            [
                0.731638
                0.905385
                0.846306
            ]
            [
                0.268362
                0.905385
                0.653694
            ]
            [
                0.289453
                0.181523
                0.312758
            ]
            [
                0.710547
                0.181523
                0.187242
            ]
            [
                0.710547
                0.818477
                0.687242
            ]
            [
                0.289453
                0.818477
                0.812758
            ]
            [
                0.395892
                0.102585
                0.149874
            ]
            [
                0.604108
                0.102585
                0.350126
            ]
            [
                0.604108
                0.897415
                0.850126
            ]
            [
                0.395892
                0.897415
                0.649874
            ]
            [
                0.91885
                0.66504
                0.328073
            ]
            [
                0.08115
                0.66504
                0.171927
            ]
            [
                0.08115
                0.33496
                0.671927
            ]
            [
                0.91885
                0.33496
                0.828073
            ]
            [
                0.125024
                0.191817
                0.314131
            ]
            [
                0.874976
                0.191817
                0.185869
            ]
            [
                0.874976
                0.808183
                0.685869
            ]
            [
                0.125024
                0.808183
                0.814131
            ]
            [
                0.169289
                0.272915
                0.172897
            ]
            [
                0.830711
                0.272915
                0.327103
            ]
            [
                0.830711
                0.727085
                0.827103
            ]
            [
                0.169289
                0.727085
                0.672897
            ]
            [
                0.064861
                0.341921
                0.34144
            ]
            [
                0.935139
                0.341921
                0.15856
            ]
            [
                0.935139
                0.658079
                0.65856
            ]
            [
                0.064861
                0.658079
                0.84144
            ]
            [
                0.602997
                0.921429
                0.182084
            ]
            [
                0.397003
                0.921429
                0.317916
            ]
            [
                0.397003
                0.078571
                0.817916
            ]
            [
                0.602997
                0.078571
                0.682084
            ]
            [
                0.199011
                0.993972
                0.293722
            ]
            [
                0.800989
                0.993972
                0.206278
            ]
            [
                0.800989
                0.006028
                0.706278
            ]
            [
                0.199011
                0.006028
                0.793722
            ]
            [
                0.101999
                0.0605
                0.153977
            ]
            [
                0.898001
                0.0605
                0.346023
            ]
            [
                0.898001
                0.9395
                0.846023
            ]
            [
                0.101999
                0.9395
                0.653977
            ]
            [
                0.127342
                0.850156
                0.306625
            ]
            [
                0.872658
                0.850156
                0.193375
            ]
            [
                0.872658
                0.149844
                0.693375
            ]
            [
                0.127342
                0.149844
                0.806625
            ]
            [
                0.030411
                0.912652
                0.150277
            ]
            [
                0.969589
                0.912652
                0.349723
            ]
            [
                0.969589
                0.087348
                0.849723
            ]
            [
                0.030411
                0.087348
                0.650277
            ]
            [
                0.005013
                0.699602
                0.998469
            ]
            [
                0.994987
                0.699602
                0.501531
            ]
            [
                0.994987
                0.300398
                0.001531
            ]
            [
                0.005013
                0.300398
                0.498469
            ]
            [
                0.084454
                0.934002
                0.964196
            ]
            [
                0.915546
                0.934002
                0.535804
            ]
            [
                0.915546
                0.065998
                0.035804
            ]
            [
                0.084454
                0.065998
                0.464196
            ]
            [
                0.166509
                0.201214
                0.979926
            ]
            [
                0.833491
                0.201214
                0.520074
            ]
            [
                0.833491
                0.798786
                0.020074
            ]
            [
                0.166509
                0.798786
                0.479926
            ]
            [
                0.290438
                0.001161
                0.966563
            ]
            [
                0.709562
                0.001161
                0.533437
            ]
            [
                0.709562
                0.998839
                0.033437
            ]
            [
                0.290438
                0.998839
                0.466563
            ]
            [
                0.217762
                0.867113
                0.080365
            ]
            [
                0.782238
                0.867113
                0.419635
            ]
            [
                0.782238
                0.132887
                0.919635
            ]
            [
                0.217762
                0.132887
                0.580365
            ]
            [
                0.768362
                0.594615
                0.153694
            ]
            [
                0.231638
                0.594615
                0.346306
            ]
            [
                0.231638
                0.405385
                0.846306
            ]
            [
                0.768362
                0.405385
                0.653694
            ]
            [
                0.789453
                0.681523
                0.312758
            ]
            [
                0.210547
                0.681523
                0.187242
            ]
            [
                0.210547
                0.318477
                0.687242
            ]
            [
                0.789453
                0.318477
                0.812758
            ]
            [
                0.895892
                0.602585
                0.149874
            ]
            [
                0.104108
                0.602585
                0.350126
            ]
            [
                0.104108
                0.397415
                0.850126
            ]
            [
                0.895892
                0.397415
                0.649874
            ]
            [
                0.41885
                0.16504
                0.328073
            ]
            [
                0.58115
                0.16504
                0.171927
            ]
            [
                0.58115
                0.83496
                0.671927
            ]
            [
                0.41885
                0.83496
                0.828073
            ]
            [
                0.625024
                0.691817
                0.314131
            ]
            [
                0.374976
                0.691817
                0.185869
            ]
            [
                0.374976
                0.308183
                0.685869
            ]
            [
                0.625024
                0.308183
                0.814131
            ]
            [
                0.669289
                0.772915
                0.172897
            ]
            [
                0.330711
                0.772915
                0.327103
            ]
            [
                0.330711
                0.227085
                0.827103
            ]
            [
                0.669289
                0.227085
                0.672897
            ]
            [
                0.564861
                0.841921
                0.34144
            ]
            [
                0.435139
                0.841921
                0.15856
            ]
            [
                0.435139
                0.158079
                0.65856
            ]
            [
                0.564861
                0.158079
                0.84144
            ]
            [
                0.102997
                0.421429
                0.182084
            ]
            [
                0.897003
                0.421429
                0.317916
            ]
            [
                0.897003
                0.578571
                0.817916
            ]
            [
                0.102997
                0.578571
                0.682084
            ]
            [
                0.699011
                0.493972
                0.293722
            ]
            [
                0.300989
                0.493972
                0.206278
            ]
            [
                0.300989
                0.506028
                0.706278
            ]
            [
                0.699011
                0.506028
                0.793722
            ]
            [
                0.601999
                0.5605
                0.153977
            ]
            [
                0.398001
                0.5605
                0.346023
            ]
            [
                0.398001
                0.4395
                0.846023
            ]
            [
                0.601999
                0.4395
                0.653977
            ]
            [
                0.627342
                0.350156
                0.306625
            ]
            [
                0.372658
                0.350156
                0.193375
            ]
            [
                0.372658
                0.649844
                0.693375
            ]
            [
                0.627342
                0.649844
                0.806625
            ]
            [
                0.530411
                0.412652
                0.150277
            ]
            [
                0.469589
                0.412652
                0.349723
            ]
            [
                0.469589
                0.587348
                0.849723
            ]
            [
                0.530411
                0.587348
                0.650277
            ]
            [
                0.505013
                0.199602
                0.998469
            ]
            [
                0.494987
                0.199602
                0.501531
            ]
            [
                0.494987
                0.800398
                0.001531
            ]
            [
                0.505013
                0.800398
                0.498469
            ]
            [
                0.584454
                0.434002
                0.964196
            ]
            [
                0.415546
                0.434002
                0.535804
            ]
            [
                0.415546
                0.565998
                0.035804
            ]
            [
                0.584454
                0.565998
                0.464196
            ]
            [
                0.666509
                0.701214
                0.979926
            ]
            [
                0.333491
                0.701214
                0.520074
            ]
            [
                0.333491
                0.298786
                0.020074
            ]
            [
                0.666509
                0.298786
                0.479926
            ]
            [
                0.790438
                0.501161
                0.966563
            ]
            [
                0.209562
                0.501161
                0.533437
            ]
            [
                0.209562
                0.498839
                0.033437
            ]
            [
                0.790438
                0.498839
                0.466563
            ]
            [
                0.717762
                0.367113
                0.080365
            ]
            [
                0.282238
                0.367113
                0.419635
            ]
            [
                0.282238
                0.632887
                0.919635
            ]
            [
                0.717762
                0.632887
                0.580365
            ]
        ]
    }
    "species" {
        "source-value" [
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Na"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "Cr"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "H"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "C"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
            "O"
        ]
    }
    "cauchy-stress" {
        "source-value" [
            0
            0
            0
            0
            0
            0
        ]
        "source-unit" "GPa"
    }
    "temperature" {
        "source-value" 0
        "source-unit" "K"
    }
    "a" {
        "source-value" 17.62074862
        "source-unit" "angstrom"
    }
    "b" {
        "source-value" 12.73134058
        "source-unit" "angstrom"
    }
    "c" {
        "source-value" 15.31092728
        "source-unit" "angstrom"
    }
    "beta" {
        "source-value" 100.23451522
        "source-unit" "degree"
    }
}